(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide

C19H21N5O2S — CID 56715388

IUPAC(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C19H21N5O2S/c1-11-14-9-16(18(26)23-10-12(20)8-15(23)17(25)21-2)27-19(14)24(22-11)13-6-4-3-5-7-13/h3-7,9,12,15H,8,10,20H2,1-2H3,(H,21,25)/t12-,15+/m1/s1
InChIKeyJTBZMSNBIAMRTB-DOMZBBRYSA-N
MW383.48 g/mol
LogP1.68
Rot. Bonds3

About (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56715388) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56715388
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C19H21N5O2S/c1-11-14-9-16(18(26)23-10-12(20)8-15(23)17(25)21-2)27-19(14)24(22-11)13-6-4-3-5-7-13/h3-7,9,12,15H,8,10,20H2,1-2H3,(H,21,25)/t12-,15+/m1/s1
InChIKeyJTBZMSNBIAMRTB-DOMZBBRYSA-N
XLogP1.68
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
methyl (2S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 95139926
(2,6-dimethylmorpholin-4-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 4083726
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577410
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 56715388) is (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JTBZMSNBIAMRTB-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11-14-9-16(18(26)23-10-12(20)8-15(23)17(25)21-2)27-19(14)24(22-11)13-6-4-3-5-7-13/h3-7,9,12,15H,8,10,20H2,1-2H3,(H,21,25)/t12-,15+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56715388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).